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BDBM50052983 2-Hydroxy-2-[6-(2-nitro-phenyl)-hexylsulfanylmethyl]-succinic acid::CHEMBL116884

InChI string: InChI=1S/C17H23NO7S/c19-15(20)11-17(23,16(21)22)12-26-10-6-2-1-3-7-13-8-4-5-9-14(13)18(24)25/h4-5,8-9,23H,1-3,6-7,10-12H2,(H,19,20)(H,21,22)

SMILES: OC(=O)CC(O)(CSCCCCCCc1ccccc1[N+]([O-])=O)C(O)=O

InChI Key: InChIKey=FTSYRALACFTMTN-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50052983   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
ATP-citrate synthase


(Rattus norvegicus)
BDBM50052983
PNG
(2-Hydroxy-2-[6-(2-nitro-phenyl)-hexylsulfanylmethy...)
Show SMILES OC(=O)CC(O)(CSCCCCCCc1ccccc1[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C17H23NO7S/c19-15(20)11-17(23,16(21)22)12-26-10-6-2-1-3-7-13-8-4-5-9-14(13)18(24)25/h4-5,8-9,23H,1-3,6-7,10-12H2,(H,19,20)(H,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
7.50E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant ATP-Citrate Lyase activity as maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH


Citation and Details
More data for this
Ligand-Target Pair